@MOLECULE (1S,2R,4R)-1-methylcyclohexane-1,2,4-triol 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1327 -0.3721 -1.3795 O.3 1 UNL1111111111111 -0.5755 2 O -1.4423 1.9120 0.0421 O.3 1 UNL1111111111111 -0.5491 3 O 3.0217 0.3563 -0.1743 O.3 1 UNL1111111111111 -0.5636 4 C -1.0980 -0.4865 0.0326 C.3 1 UNL1111111111111 0.2673 5 C -0.5762 0.9026 0.4997 C.3 1 UNL1111111111111 0.1362 6 C -0.1268 -1.6084 0.4392 C.3 1 UNL1111111111111 -0.3304 7 C 0.8404 1.1634 -0.0170 C.3 1 UNL1111111111111 -0.3565 8 C 1.7751 0.0327 0.4204 C.3 1 UNL1111111111111 0.1713 9 C 1.2763 -1.3253 -0.0994 C.3 1 UNL1111111111111 -0.3307 10 C -2.5087 -0.7472 0.5548 C.3 1 UNL1111111111111 -0.5100 11 H -0.6431 0.9976 1.6060 H 1 UNL1111111111111 0.1402 12 H -0.4892 -2.5803 0.0570 H 1 UNL1111111111111 0.1453 13 H -0.1076 -1.7067 1.5404 H 1 UNL1111111111111 0.1483 14 H 1.2134 2.1409 0.3422 H 1 UNL1111111111111 0.1665 15 H 0.8397 1.2411 -1.1245 H 1 UNL1111111111111 0.1785 16 H 1.9234 0.0212 1.5223 H 1 UNL1111111111111 0.1104 17 H 1.9729 -2.1327 0.1817 H 1 UNL1111111111111 0.1355 18 H 1.2589 -1.3031 -1.2095 H 1 UNL1111111111111 0.1695 19 H -3.1810 0.0750 0.2629 H 1 UNL1111111111111 0.1773 20 H -2.5339 -0.8064 1.6477 H 1 UNL1111111111111 0.1576 21 H -2.9306 -1.6750 0.1587 H 1 UNL1111111111111 0.1471 22 H -1.5191 -1.1671 -1.7888 H 1 UNL1111111111111 0.3207 23 H -1.5730 1.8254 -0.9292 H 1 UNL1111111111111 0.3327 24 H 3.6551 -0.3771 -0.0805 H 1 UNL1111111111111 0.3114 @BOND 1 1 4 1 2 1 22 1 3 2 5 1 4 2 23 1 5 3 8 1 6 3 24 1 7 4 5 1 8 4 6 1 9 4 10 1 10 5 7 1 11 5 11 1 12 6 9 1 13 6 12 1 14 6 13 1 15 7 8 1 16 7 14 1 17 7 15 1 18 8 9 1 19 8 16 1 20 9 17 1 21 9 18 1 22 10 19 1 23 10 20 1 24 10 21 1